5-Methyl-3-pyridinecarbonitrile

C₇H₆N₂CAS 42885-14-3118.14 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₇H₆N₂
Molar mass: 118.14 g/mol
Exact mass: 118.0531 Da
logP: 1.26Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed91.1% of notifiers
H315 Causes skin irritation97.8% of notifiers
H318 Causes serious eye damage88.9% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

42885-14-3

SMILES

Cc1cncc(C#N)c1

InChIKey

VDWQWOXVBXURMT-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

3-Pyridinecarbonitrile, 5-methyl-
Nicotinonitrile, 5-methyl-
3-Cyano-5-methylpyridine
3-Methyl-5-cyanopyridine
5-Methylnicotinonitrile
5-Cyano-3-methylpyridine

Work with 5-Methyl-3-pyridinecarbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dimethylbenzonitrile22445-42-758 % similar 5-Methylisophthalonitrile39718-07-558 % similar 3,5-Lutidine591-22-054 % similar 5-Hydroxypyridine-3-carbonitrile152803-24-253 % similar 5-Bromonicotinonitrile35590-37-553 % similar 5-Fluoro-3-pyridinecarbonitrile696-42-453 % similar 3-Methylbenzonitrile620-22-450 % similar 5-Cyanopyrimidine40805-79-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-4 Pyridin-4-yl-acetonitrile13121-99-8 6-Methylpyridine-2-carbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Methylpyridine-3-carbonitrile1721-23-9 2-Aminobenzonitrile1885-29-6 3-Methylpyridine-2-carbonitrile20970-75-6

Elsewhere

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